DEC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.27Å | |
| C1 | O2 | sing | 1.34Å | 1.38Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | O3 | doub | 1.21Å | 1.29Å | |
| C10 | O4 | sing | 1.34Å | 1.34Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 118.7° | 120.0° |
| O1 | C1 | C2 | 115.7° | 119.9° |
| O2 | C1 | C2 | 125.5° | 120.1° |
| C1 | O2 | HO2 | 118.7° | 120.0° |
| C1 | C2 | C3 | 123.6° | 109.5° |
| C1 | C2 | H21 | 107.2° | 109.4° |
| C1 | C2 | H22 | 107.2° | 109.4° |
| C3 | C2 | H21 | 107.2° | 109.5° |
| C3 | C2 | H22 | 107.2° | 109.5° |
| C2 | C3 | C4 | 115.6° | 109.5° |
| C2 | C3 | H31 | 110.0° | 109.5° |
| C2 | C3 | H32 | 109.9° | 109.5° |
| H21 | C2 | H22 | 102.5° | 109.5° |
| C4 | C3 | H31 | 110.0° | 109.5° |
| C4 | C3 | H32 | 110.0° | 109.5° |
| C3 | C4 | C5 | 114.8° | 109.5° |
| C3 | C4 | H41 | 110.3° | 109.5° |
| C3 | C4 | H42 | 110.3° | 109.5° |
| H31 | C3 | H32 | 100.3° | 109.5° |
| C5 | C4 | H41 | 110.3° | 109.4° |
| C5 | C4 | H42 | 110.3° | 109.4° |
| C4 | C5 | C6 | 108.9° | 109.5° |
| C4 | C5 | H51 | 112.4° | 109.5° |
| C4 | C5 | H52 | 112.4° | 109.5° |
| H41 | C4 | H42 | 100.0° | 109.5° |
| C6 | C5 | H51 | 112.4° | 109.4° |
| C6 | C5 | H52 | 112.4° | 109.4° |
| C5 | C6 | C7 | 114.2° | 109.5° |
| C5 | C6 | H61 | 110.4° | 109.4° |
| C5 | C6 | H62 | 110.5° | 109.4° |
| H51 | C5 | H52 | 98.0° | 109.5° |
| C7 | C6 | H61 | 110.5° | 109.5° |
| C7 | C6 | H62 | 110.4° | 109.5° |
| C6 | C7 | C8 | 112.8° | 109.5° |
| C6 | C7 | H71 | 111.0° | 109.4° |
| C6 | C7 | H72 | 111.0° | 109.4° |
| H61 | C6 | H62 | 99.9° | 109.5° |
| C8 | C7 | H71 | 111.0° | 109.5° |
| C8 | C7 | H72 | 110.9° | 109.5° |
| C7 | C8 | C9 | 112.1° | 109.5° |
| C7 | C8 | H81 | 111.3° | 109.5° |
| C7 | C8 | H82 | 111.3° | 109.5° |
| H71 | C7 | H72 | 99.3° | 109.5° |
| C9 | C8 | H81 | 111.2° | 109.5° |
| C9 | C8 | H82 | 111.2° | 109.5° |
| C8 | C9 | C10 | 127.2° | 109.5° |
| C8 | C9 | H91 | 106.0° | 109.5° |
| C8 | C9 | H92 | 106.0° | 109.5° |
| H81 | C8 | H82 | 99.1° | 109.5° |
| C10 | C9 | H91 | 106.0° | 109.4° |
| C10 | C9 | H92 | 105.9° | 109.4° |
| C9 | C10 | O3 | 116.0° | 119.9° |
| C9 | C10 | O4 | 144.1° | 120.1° |
| H91 | C9 | H92 | 103.4° | 109.5° |
| O3 | C10 | O4 | 99.9° | 120.0° |
| C10 | O4 | HO4 | 144.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 178.3° | 180.0° |
| O1 | C1 | O2 | HO2 | 180.0° | 0.0° |
| O1 | C1 | C2 | C3 | 172.0° | 0.0° |
| O1 | C1 | C2 | H21 | 46.7° | 120.0° |
| O1 | C1 | C2 | H22 | 62.7° | 120.0° |
| O2 | C1 | C2 | C3 | 9.7° | 180.0° |
| O2 | C1 | C2 | H21 | 134.9° | 60.0° |
| O2 | C1 | C2 | H22 | 115.6° | 60.0° |
| C2 | C1 | O2 | HO2 | 1.7° | 180.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 112.7° | 119.9° |
| C1 | C2 | C3 | C4 | 138.9° | 180.0° |
| C1 | C2 | C3 | H31 | 13.7° | 60.0° |
| C1 | C2 | C3 | H32 | 95.9° | 60.0° |
| C3 | C2 | H21 | H22 | 112.6° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 115.8° | 120.0° |
| C2 | C3 | C4 | C5 | 2.4° | 180.0° |
| C2 | C3 | C4 | H41 | 127.7° | 60.0° |
| C2 | C3 | C4 | H42 | 122.9° | 60.0° |
| H21 | C2 | C3 | C4 | 95.8° | 60.0° |
| H21 | C2 | C3 | H31 | 138.9° | 180.0° |
| H21 | C2 | C3 | H32 | 29.4° | 60.0° |
| H22 | C2 | C3 | C4 | 13.6° | 60.0° |
| H22 | C2 | C3 | H31 | 111.7° | 60.0° |
| H22 | C2 | C3 | H32 | 138.8° | 180.0° |
| C4 | C3 | H31 | H32 | 115.8° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.1° | 120.0° |
| C3 | C4 | C5 | C6 | 86.3° | 180.0° |
| C3 | C4 | C5 | H51 | 148.5° | 60.0° |
| C3 | C4 | C5 | H52 | 39.0° | 60.0° |
| H31 | C3 | C4 | C5 | 122.8° | 60.0° |
| H31 | C3 | C4 | H41 | 2.4° | 180.0° |
| H31 | C3 | C4 | H42 | 111.9° | 60.0° |
| H32 | C3 | C4 | C5 | 127.6° | 60.0° |
| H32 | C3 | C4 | H41 | 107.1° | 60.0° |
| H32 | C3 | C4 | H42 | 2.4° | 180.0° |
| C5 | C4 | H41 | H42 | 116.1° | 119.9° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 118.4° | 120.0° |
| C4 | C5 | C6 | C7 | 178.5° | 180.0° |
| C4 | C5 | C6 | H61 | 53.2° | 60.0° |
| C4 | C5 | C6 | H62 | 56.3° | 60.0° |
| H41 | C4 | C5 | C6 | 39.0° | 60.0° |
| H41 | C4 | C5 | H51 | 86.3° | 180.0° |
| H41 | C4 | C5 | H52 | 164.3° | 60.1° |
| H42 | C4 | C5 | C6 | 148.5° | 60.0° |
| H42 | C4 | C5 | H51 | 23.2° | 60.1° |
| H42 | C4 | C5 | H52 | 86.3° | 180.0° |
| C6 | C5 | H51 | H52 | 118.3° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 116.3° | 120.0° |
| C5 | C6 | C7 | C8 | 47.1° | 180.0° |
| C5 | C6 | C7 | H71 | 78.2° | 60.0° |
| C5 | C6 | C7 | H72 | 172.3° | 60.0° |
| H51 | C5 | C6 | C7 | 56.2° | 60.0° |
| H51 | C5 | C6 | H61 | 178.5° | 180.0° |
| H51 | C5 | C6 | H62 | 69.0° | 60.0° |
| H52 | C5 | C6 | C7 | 53.2° | 60.0° |
| H52 | C5 | C6 | H61 | 72.0° | 60.0° |
| H52 | C5 | C6 | H62 | 178.4° | 180.0° |
| C7 | C6 | H61 | H62 | 116.3° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 116.9° | 119.9° |
| C6 | C7 | C8 | C9 | 103.5° | 180.0° |
| C6 | C7 | C8 | H81 | 131.2° | 60.0° |
| C6 | C7 | C8 | H82 | 21.7° | 60.0° |
| H61 | C6 | C7 | C8 | 172.3° | 60.0° |
| H61 | C6 | C7 | H71 | 47.0° | 180.0° |
| H61 | C6 | C7 | H72 | 62.5° | 60.1° |
| H62 | C6 | C7 | C8 | 78.2° | 60.0° |
| H62 | C6 | C7 | H71 | 156.6° | 60.1° |
| H62 | C6 | C7 | H72 | 47.1° | 180.0° |
| C8 | C7 | H71 | H72 | 116.8° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 117.2° | 120.0° |
| C7 | C8 | C9 | C10 | 166.5° | 180.0° |
| C7 | C8 | C9 | H91 | 68.2° | 60.0° |
| C7 | C8 | C9 | H92 | 41.2° | 60.0° |
| H71 | C7 | C8 | C9 | 21.7° | 60.0° |
| H71 | C7 | C8 | H81 | 103.5° | 180.0° |
| H71 | C7 | C8 | H82 | 147.0° | 60.0° |
| H72 | C7 | C8 | C9 | 131.2° | 60.0° |
| H72 | C7 | C8 | H81 | 5.9° | 60.0° |
| H72 | C7 | C8 | H82 | 103.6° | 180.0° |
| C9 | C8 | H81 | H82 | 117.0° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H92 | 111.3° | 120.0° |
| C8 | C9 | C10 | O3 | 164.6° | 0.0° |
| C8 | C9 | C10 | O4 | 18.4° | 180.0° |
| H81 | C8 | C9 | C10 | 41.2° | 60.0° |
| H81 | C8 | C9 | H91 | 166.5° | 180.0° |
| H81 | C8 | C9 | H92 | 84.1° | 60.0° |
| H82 | C8 | C9 | C10 | 68.2° | 60.0° |
| H82 | C8 | C9 | H91 | 57.1° | 60.0° |
| H82 | C8 | C9 | H92 | 166.5° | 180.0° |
| C10 | C9 | H91 | H92 | 111.2° | 119.9° |
| C9 | C10 | O3 | O4 | 178.2° | 180.0° |
| C9 | C10 | O4 | HO4 | 180.0° | 180.0° |
| H91 | C9 | C10 | O3 | 70.1° | 120.0° |
| H91 | C9 | C10 | O4 | 106.9° | 60.0° |
| H92 | C9 | C10 | O3 | 39.4° | 120.0° |
| H92 | C9 | C10 | O4 | 143.6° | 60.0° |
| O3 | C10 | O4 | HO4 | 2.7° | 0.0° |
